5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate

C110H115B3Br2IN11O19S2 — CID 157179336

About 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate

5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 157179336) has the molecular formula C110H115B3Br2IN11O19S2 and a molecular weight of 2278.47 g/mol. Its IUPAC name is 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 157179336
• Molecular Formula: C110H115B3Br2IN11O19S2
• Molecular Weight: 2278.47 g/mol
• Exact Mass: 2275.55
• IUPAC Name: 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CC1(C)OB(c2ccc(=O)n(C3CC3)c2)OC1(C)C.CC1(C)OB(c2ccc(=O)n(C3CC3)c2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1ccc(=O)n(C3CC3)c1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.O=c1ccc(Br)c[nH]1.O=c1ccc(Br)cn1C1CC1.OB(O)C1CC1
• InChI: InChI=1S/C37H32N4O5S.C29H24IN3O4S.2C14H20BNO3.C8H8BrNO.C5H4BrNO.C3H7BO2/c1-46-37(43)32-22-38-36(39(23-26-11-5-2-6-12-26)24-27-13-7-3-8-14-27)35-31(32)21-33(28-17-20-34(42)40(25-28)29-18-19-29)41(35)47(44,45)30-15-9-4-10-16-30;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;2*1-13(2)14(3,4)19-15(18-13)10-5-8-12(17)16(9-10)11-6-7-11;9-6-1-4-8(11)10(5-6)7-2-3-7;6-4-1-2-5(8)7-3-4;5-4(6)3-1-2-3/h2-17,20-22,25,29H,18-19,23-24H2,1H3;2-18H,19-20H2,1H3;2*5,8-9,11H,6-7H2,1-4H3;1,4-5,7H,2-3H2;1-3H,(H,7,8);3,5-6H,1-2H2
• InChIKey: AOJRTFAOZBFKFX-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 361.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.47
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate (CID 157179336) is 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate is CC1(C)OB(c2ccc(=O)n(C3CC3)c2)OC1(C)C.CC1(C)OB(c2ccc(=O)n(C3CC3)c2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1ccc(=O)n(C3CC3)c1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.O=c1ccc(Br)c[nH]1.O=c1ccc(Br)cn1C1CC1.OB(O)C1CC1.

What is the InChIKey of 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is AOJRTFAOZBFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O5S.C29H24IN3O4S.2C14H20BNO3.C8H8BrNO.C5H4BrNO.C3H7BO2/c1-46-37(43)32-22-38-36(39(23-26-11-5-2-6-12-26)24-27-13-7-3-8-14-27)35-31(32)21-33(28-17-20-34(42)40(25-28)29-18-19-29)41(35)47(44,45)30-15-9-4-10-16-30;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;2*1-13(2)14(3,4)19-15(18-13)10-5-8-12(17)16(9-10)11-6-7-11;9-6-1-4-8(11)10(5-6)7-2-3-7;6-4-1-2-5(8)7-3-4;5-4(6)3-1-2-3/h2-17,20-22,25,29H,18-19,23-24H2,1H3;2-18H,19-20H2,1H3;2*5,8-9,11H,6-7H2,1-4H3;1,4-5,7H,2-3H2;1-3H,(H,7,8);3,5-6H,1-2H2.

What are the key properties of 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?

5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2278.47 g/mol, XLogP of 17.97, 24 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-cyclopropylpyridin-2-one;5-bromo-1H-pyridin-2-one;cyclopropylboronic acid;bis(1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 1-(benzenesulfonyl)-2-(1-cyclopropyl-6-oxo-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 157179336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).